 Entering Gaussian System, Link 0=g16
 Input=04_BrClFmethane_STD_wB97XD-def2SVPDr.in
 Output=04_BrClFmethane_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/04_R-BrClFmethane_STD/Gau-199810.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/04_R-BrClFmethane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    199811.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=04_BrClFmethane_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 20:15:50 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "04_BrClFmethane_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.580263000000      0.462073000000      0.411344000000
  Cl                                                1.835659000000     -0.687806000000     -0.067556000000
  Br                                               -1.211307000000     -0.184780000000     -0.028129000000
  F                                                 0.787779000000      1.643768000000     -0.202445000000
  H                                                 0.617958000000      0.593649000000      1.486907000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1
 NAtoms=      5 NQM=        5 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5
 IAtWgt=          12          35          79          19           1
 AtmWgt=  12.0000000  34.9688527  78.9183361  18.9984033   1.0078250
 NucSpn=           0           3           3           1           1
 AtZEff=   3.6000000  14.2400000  24.5000000   6.7500000   1.0000000
 NQMom=    0.0000000  -8.1650000  31.3000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.8218740   2.1063990   2.6288670   2.7928460
 AtZNuc=   6.0000000  17.0000000  35.0000000   9.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Jul 22 20:15:51 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.580263    0.462073    0.411344
      2         17           0        1.835659   -0.687806   -0.067556
      3         35           0       -1.211307   -0.184780   -0.028129
      4          9           0        0.787779    1.643768   -0.202445
      5          1           0        0.617958    0.593649    1.486907
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  Cl   1.768498   0.000000
     3  Br   1.954809   3.088461   0.000000
     4  F    1.347666   2.559782   2.714833   0.000000
     5  H    1.084237   2.353992   2.499499   1.996372   0.000000
 Stoichiometry    CHBrClF
 Framework group  C1[X(CHBrClF)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.580263    0.462073    0.411344
      2         17           0        1.835659   -0.687806   -0.067556
      3         35           0       -1.211307   -0.184780   -0.028129
      4          9           0        0.787779    1.643768   -0.202445
      5          1           0        0.617958    0.593649    1.486907
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           6.4224140           1.9855076           1.5655850
 Leave Link  202 at Thu Jul 22 20:15:51 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       5
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 5 1.00
     Exponent=  2.8948325990D+03 Coefficients= -5.3408255515D-03
     Exponent=  4.3541939120D+02 Coefficients= -3.9904258866D-02
     Exponent=  9.8843328866D+01 Coefficients= -1.7912768038D-01
     Exponent=  2.7485198001D+01 Coefficients= -4.6758090825D-01
     Exponent=  8.5405498171D+00 Coefficients= -4.4653131020D-01
 S 1 1.00
     Exponent=  1.0654578038D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.3247346748D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.8097752264D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  2.2696633924D+01 Coefficients= -4.5212874436D-02
     Exponent=  4.9872339257D+00 Coefficients= -2.3754317067D-01
     Exponent=  1.3491613954D+00 Coefficients= -5.1287353587D-01
 P 1 1.00
     Exponent=  3.4829881977D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.3372148304D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.4000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.2301361948D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 5 1.00
     Exponent=  1.0449827566D+04 Coefficients=  1.9708362484D-03
     Exponent=  1.5717365221D+03 Coefficients=  1.4754727977D-02
     Exponent=  3.5712065523D+02 Coefficients=  6.6679112875D-02
     Exponent=  1.0025185935D+02 Coefficients=  1.7228924084D-01
     Exponent=  3.0812727554D+01 Coefficients=  1.5883786100D-01
 S 3 1.00
     Exponent=  5.1923789434D+01 Coefficients= -1.0009298909D-01
     Exponent=  5.7045760975D+00 Coefficients=  6.0841752753D-01
     Exponent=  2.3508376809D+00 Coefficients=  5.4352153355D-01
 S 1 1.00
     Exponent=  4.4605124672D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.6848856190D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.5344229413D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  3.0766790569D+02 Coefficients= -8.7801484118D-03
     Exponent=  7.2102015515D+01 Coefficients= -6.3563355471D-02
     Exponent=  2.2532680262D+01 Coefficients= -2.4016428276D-01
     Exponent=  7.8991765444D+00 Coefficients= -4.7798866557D-01
     Exponent=  2.8767268321D+00 Coefficients= -3.8515850005D-01
 P 1 1.00
     Exponent=  7.7459363955D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  2.1037699698D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.0046271086D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2284803390D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3
 S 6 1.00
     Exponent=  1.1328638776D+05 Coefficients=  1.4283037779D-03
     Exponent=  1.7009626303D+04 Coefficients=  1.0950417496D-02
     Exponent=  3.8701842567D+03 Coefficients=  5.4421006604D-02
     Exponent=  1.0930357227D+03 Coefficients=  1.9047907695D-01
     Exponent=  3.5639721797D+02 Coefficients=  3.9024642737D-01
     Exponent=  1.2312539643D+02 Coefficients=  3.0814432514D-01
 S 3 1.00
     Exponent=  2.3674084007D+02 Coefficients= -1.1228065671D-01
     Exponent=  2.8468661070D+01 Coefficients=  6.4775962312D-01
     Exponent=  1.1883443722D+01 Coefficients=  4.4235575986D-01
 S 3 1.00
     Exponent=  2.1269633312D+01 Coefficients= -2.2642576323D-01
     Exponent=  3.6129226841D+00 Coefficients=  7.3823712008D-01
     Exponent=  1.6626648969D+00 Coefficients=  4.2683868694D-01
 S 1 1.00
     Exponent=  3.4823793232D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3019031394D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0966709763D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  1.5602801881D+03 Coefficients=  8.7166669072D-03
     Exponent=  3.6847859205D+02 Coefficients=  6.6243637420D-02
     Exponent=  1.1722978849D+02 Coefficients=  2.6495610385D-01
     Exponent=  4.2648909248D+01 Coefficients=  5.3839160587D-01
     Exponent=  1.6087225096D+01 Coefficients=  3.6579387888D-01
 P 3 1.00
     Exponent=  8.6352810058D+00 Coefficients=  3.4248787366D-01
     Exponent=  3.5613665502D+00 Coefficients=  5.7500678213D-01
     Exponent=  1.5292626609D+00 Coefficients=  2.4330394172D-01
 P 1 1.00
     Exponent=  5.3064294848D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5702758965D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9636841846D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  1.0485518642D+02 Coefficients=  2.2650147581D-02
     Exponent=  3.0281143688D+01 Coefficients=  1.3455483230D-01
     Exponent=  1.0651394267D+01 Coefficients=  3.6474454537D-01
     Exponent=  3.8699456233D+00 Coefficients=  4.9044587056D-01
 D 1 1.00
     Exponent=  1.3240876762D+00 Coefficients=  2.7137289040D-01
 D 1 1.00
     Exponent=  3.8900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.6543342393D-02 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   129 symmetry adapted cartesian basis functions of A   symmetry.
 There are   119 symmetry adapted basis functions of A   symmetry.
   119 basis functions,   214 primitive gaussians,   129 cartesian basis functions
    34 alpha electrons       34 beta electrons
       nuclear repulsion energy       320.0949798637 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0006552898 Hartrees.
 Nuclear repulsion after empirical dispersion term =      320.0943245739 Hartrees.
 Leave Link  301 at Thu Jul 22 20:15:51 2021, MaxMem=  6442450944 cpu:               4.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   119 RedAO= T EigKep=  5.86D-04  NBF=   119
 NBsUse=   119 1.00D-06 EigRej= -1.00D+00 NBFU=   119
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   129   129   129   129   129 MxSgAt=     5 MxSgA2=     5.
 Leave Link  302 at Thu Jul 22 20:15:52 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 20:15:52 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "04_BrClFmethane_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 20:15:52 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Keep R1 ints in memory in canonical form, NReq=58622035.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=   7140 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6391428623 LenY=  6391411541
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.

 Cycle   1  Pass 1  IDiag  1:
 E= -3172.35550240699    
 DIIS: error= 5.32D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3172.35550240699     IErMin= 1 ErrMin= 5.32D-03
 ErrMax= 5.32D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-02 BMatP= 1.13D-02
 IDIUse=3 WtCom= 9.47D-01 WtEn= 5.32D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.413 Goal=   None    Shift=    0.000
 GapD=    0.413 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.13D-03 MaxDP=8.20D-02              OVMax= 1.34D-02

 Cycle   2  Pass 1  IDiag  1:
 E= -3172.36186438412     Delta-E=       -0.006361977126 Rises=F Damp=F
 DIIS: error= 8.07D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3172.36186438412     IErMin= 2 ErrMin= 8.07D-04
 ErrMax= 8.07D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.51D-04 BMatP= 1.13D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.07D-03
 Coeff-Com:  0.509D-01 0.949D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.505D-01 0.950D+00
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=7.41D-04 MaxDP=1.60D-02 DE=-6.36D-03 OVMax= 7.21D-03

 Cycle   3  Pass 1  IDiag  1:
 E= -3172.36210538228     Delta-E=       -0.000240998169 Rises=F Damp=F
 DIIS: error= 8.02D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3172.36210538228     IErMin= 3 ErrMin= 8.02D-04
 ErrMax= 8.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-04 BMatP= 4.51D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.02D-03
 Coeff-Com: -0.244D-01 0.452D+00 0.572D+00
 Coeff-En:   0.000D+00 0.230D+00 0.770D+00
 Coeff:     -0.242D-01 0.451D+00 0.574D+00
 Gap=     0.406 Goal=   None    Shift=    0.000
 RMSDP=1.47D-04 MaxDP=3.59D-03 DE=-2.41D-04 OVMax= 3.54D-03

 Cycle   4  Pass 1  IDiag  1:
 E= -3172.36232342615     Delta-E=       -0.000218043867 Rises=F Damp=F
 DIIS: error= 1.07D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3172.36232342615     IErMin= 4 ErrMin= 1.07D-04
 ErrMax= 1.07D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.43D-06 BMatP= 3.26D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.07D-03
 Coeff-Com: -0.919D-02 0.646D-01 0.159D+00 0.786D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.918D-02 0.646D-01 0.159D+00 0.786D+00
 Gap=     0.406 Goal=   None    Shift=    0.000
 RMSDP=5.41D-05 MaxDP=1.16D-03 DE=-2.18D-04 OVMax= 7.33D-04

 Cycle   5  Pass 1  IDiag  1:
 E= -3172.36233042211     Delta-E=       -0.000006995954 Rises=F Damp=F
 DIIS: error= 3.05D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3172.36233042211     IErMin= 5 ErrMin= 3.05D-05
 ErrMax= 3.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.72D-07 BMatP= 7.43D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.552D-03-0.236D-01-0.175D-01 0.206D+00 0.836D+00
 Coeff:     -0.552D-03-0.236D-01-0.175D-01 0.206D+00 0.836D+00
 Gap=     0.406 Goal=   None    Shift=    0.000
 RMSDP=1.89D-05 MaxDP=4.12D-04 DE=-7.00D-06 OVMax= 3.57D-04

 Cycle   6  Pass 1  IDiag  1:
 E= -3172.36233110638     Delta-E=       -0.000000684276 Rises=F Damp=F
 DIIS: error= 1.54D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3172.36233110638     IErMin= 6 ErrMin= 1.54D-05
 ErrMax= 1.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.31D-08 BMatP= 6.72D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.270D-03-0.116D-01-0.148D-01 0.415D-01 0.299D+00 0.686D+00
 Coeff:      0.270D-03-0.116D-01-0.148D-01 0.415D-01 0.299D+00 0.686D+00
 Gap=     0.406 Goal=   None    Shift=    0.000
 RMSDP=3.84D-06 MaxDP=1.11D-04 DE=-6.84D-07 OVMax= 8.88D-05

 Cycle   7  Pass 1  IDiag  1:
 E= -3172.36233119083     Delta-E=       -0.000000084448 Rises=F Damp=F
 DIIS: error= 5.01D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3172.36233119083     IErMin= 7 ErrMin= 5.01D-06
 ErrMax= 5.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-08 BMatP= 7.31D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.248D-03-0.302D-02-0.535D-02-0.516D-02 0.287D-01 0.280D+00
 Coeff-Com:  0.705D+00
 Coeff:      0.248D-03-0.302D-02-0.535D-02-0.516D-02 0.287D-01 0.280D+00
 Coeff:      0.705D+00
 Gap=     0.406 Goal=   None    Shift=    0.000
 RMSDP=1.40D-06 MaxDP=2.57D-05 DE=-8.44D-08 OVMax= 4.96D-05

 Cycle   8  Pass 1  IDiag  1:
 E= -3172.36233120581     Delta-E=       -0.000000014979 Rises=F Damp=F
 DIIS: error= 1.12D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3172.36233120581     IErMin= 8 ErrMin= 1.12D-06
 ErrMax= 1.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.55D-10 BMatP= 1.19D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.244D-04 0.151D-02 0.193D-02-0.659D-02-0.429D-01-0.795D-01
 Coeff-Com:  0.742D-01 0.105D+01
 Coeff:     -0.244D-04 0.151D-02 0.193D-02-0.659D-02-0.429D-01-0.795D-01
 Coeff:      0.742D-01 0.105D+01
 Gap=     0.406 Goal=   None    Shift=    0.000
 RMSDP=8.88D-07 MaxDP=1.37D-05 DE=-1.50D-08 OVMax= 2.81D-05

 Cycle   9  Pass 1  IDiag  1:
 E= -3172.36233120744     Delta-E=       -0.000000001628 Rises=F Damp=F
 DIIS: error= 2.39D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3172.36233120744     IErMin= 9 ErrMin= 2.39D-07
 ErrMax= 2.39D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-11 BMatP= 6.55D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.784D-05 0.111D-03 0.143D-03-0.134D-04-0.598D-03-0.120D-01
 Coeff-Com: -0.182D-01 0.133D-01 0.102D+01
 Coeff:     -0.784D-05 0.111D-03 0.143D-03-0.134D-04-0.598D-03-0.120D-01
 Coeff:     -0.182D-01 0.133D-01 0.102D+01
 Gap=     0.406 Goal=   None    Shift=    0.000
 RMSDP=1.36D-07 MaxDP=2.79D-06 DE=-1.63D-09 OVMax= 3.82D-06

 Cycle  10  Pass 1  IDiag  1:
 E= -3172.36233120752     Delta-E=       -0.000000000080 Rises=F Damp=F
 DIIS: error= 8.29D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3172.36233120752     IErMin=10 ErrMin= 8.29D-08
 ErrMax= 8.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-12 BMatP= 1.43D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.404D-06-0.105D-03-0.140D-03 0.604D-03 0.353D-02 0.346D-02
 Coeff-Com: -0.100D-01-0.838D-01 0.214D+00 0.872D+00
 Coeff:      0.404D-06-0.105D-03-0.140D-03 0.604D-03 0.353D-02 0.346D-02
 Coeff:     -0.100D-01-0.838D-01 0.214D+00 0.872D+00
 Gap=     0.406 Goal=   None    Shift=    0.000
 RMSDP=4.23D-08 MaxDP=1.33D-06 DE=-8.00D-11 OVMax= 1.26D-06

 Cycle  11  Pass 1  IDiag  1:
 E= -3172.36233120748     Delta-E=        0.000000000034 Rises=F Damp=F
 DIIS: error= 1.38D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -3172.36233120752     IErMin=11 ErrMin= 1.38D-08
 ErrMax= 1.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-13 BMatP= 1.87D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.608D-06-0.177D-04-0.267D-04 0.608D-04 0.368D-03 0.154D-02
 Coeff-Com:  0.743D-03-0.108D-01-0.542D-01 0.655D-01 0.997D+00
 Coeff:      0.608D-06-0.177D-04-0.267D-04 0.608D-04 0.368D-03 0.154D-02
 Coeff:      0.743D-03-0.108D-01-0.542D-01 0.655D-01 0.997D+00
 Gap=     0.406 Goal=   None    Shift=    0.000
 RMSDP=1.11D-08 MaxDP=2.00D-07 DE= 3.37D-11 OVMax= 3.69D-07

 Cycle  12  Pass 1  IDiag  1:
 E= -3172.36233120753     Delta-E=       -0.000000000050 Rises=F Damp=F
 DIIS: error= 5.09D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -3172.36233120753     IErMin=12 ErrMin= 5.09D-09
 ErrMax= 5.09D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-14 BMatP= 1.18D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.665D-07 0.551D-05 0.805D-05-0.382D-04-0.231D-03-0.142D-03
 Coeff-Com:  0.771D-03 0.619D-02-0.276D-01-0.700D-01 0.210D+00 0.881D+00
 Coeff:      0.665D-07 0.551D-05 0.805D-05-0.382D-04-0.231D-03-0.142D-03
 Coeff:      0.771D-03 0.619D-02-0.276D-01-0.700D-01 0.210D+00 0.881D+00
 Gap=     0.406 Goal=   None    Shift=    0.000
 RMSDP=3.28D-09 MaxDP=6.93D-08 DE=-5.05D-11 OVMax= 1.20D-07

 SCF Done:  E(RwB97XD) =  -3172.36233121     A.U. after   12 cycles
            NFock= 12  Conv=0.33D-08     -V/T= 2.0016
 KE= 3.167321315503D+03 PE=-8.212631371600D+03 EE= 1.552853400316D+03
 Leave Link  502 at Thu Jul 22 20:15:56 2021, MaxMem=  6442450944 cpu:              27.6 elap:               3.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   119
 NBasis=   119 NAE=    34 NBE=    34 NFC=     0 NFV=     0
 NROrb=    119 NOA=    34 NOB=    34 NVA=    85 NVB=    85

 **** Warning!!: The largest alpha MO coefficient is  0.10528038D+02

 Leave Link  801 at Thu Jul 22 20:15:56 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         1505 words used for storage of precomputed grid.
 Keep R1 and R3 ints in memory in canonical form, NReq=111625412.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=   7140 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=       0.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.82D-14 8.33D-09 XBig12= 1.00D+00 4.48D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.82D-14 8.33D-09 XBig12= 1.68D-01 9.71D-02.
     11 vectors produced by pass  2 Test12= 4.82D-14 8.33D-09 XBig12= 1.09D-02 2.25D-02.
     11 vectors produced by pass  3 Test12= 4.82D-14 8.33D-09 XBig12= 6.51D-04 5.78D-03.
     11 vectors produced by pass  4 Test12= 4.82D-14 8.33D-09 XBig12= 2.59D-05 1.33D-03.
     11 vectors produced by pass  5 Test12= 4.82D-14 8.33D-09 XBig12= 7.22D-07 1.57D-04.
     11 vectors produced by pass  6 Test12= 4.82D-14 8.33D-09 XBig12= 1.30D-08 2.03D-05.
     11 vectors produced by pass  7 Test12= 4.82D-14 8.33D-09 XBig12= 1.68D-10 2.81D-06.
     11 vectors produced by pass  8 Test12= 4.82D-14 8.33D-09 XBig12= 1.75D-12 2.52D-07.
      3 vectors produced by pass  9 Test12= 4.82D-14 8.33D-09 XBig12= 1.79D-14 2.24D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   102 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.669879D+02
      2 -0.140559D+01  0.480493D+02
      3  0.339948D+00  0.953090D+00  0.428204D+02
 Isotropic polarizability for W=    0.088559       52.62 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.231017D+02 -0.140467D+02 -0.712920D+01
      2  -0.570852D+01  0.328486D+01 -0.450689D+01
      3  -0.173931D+02  0.107618D+02  0.116361D+02
      4  -0.308783D+02  0.258546D+02  0.141034D+01
      5   0.117722D+01  0.107795D+01  0.117042D+02
      6   0.825659D+00  0.679256D+00 -0.691838D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.605735D+00  0.466113D+01  0.626395D+01
      2  -0.139308D+02  0.975699D+00  0.438103D+01
      3   0.556178D+01 -0.844762D+01 -0.332191D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.332387D+00  0.518615D+01  0.176802D+02
      2  -0.830642D+01  0.584683D+00  0.290974D+02
      3  -0.168316D+02 -0.315631D+02 -0.252296D+00
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.238657D+00  0.192739D+01 -0.285036D+01
      2   0.192739D+01 -0.322793D+00  0.708430D+00
      3  -0.285036D+01  0.708430D+00  0.121908D+00
 OR G Eigenvalues:    -3.7192     0.4698     3.2872  Iso=    -0.0126
 Eigenvectors:
   (1)   0.653760  -0.491079   0.575708
   (2)   0.138429   0.825588   0.547030
   (3)   0.743933   0.277931  -0.607716
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0126 au.
 Molar Mass =    147.3743 grams/mole, [Alpha] ( 5145.0 A) =       -4.33 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=    7140 ScalPx= 8.49D+00
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=    7140 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.07D+01
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 8.03D-15 2.78D-09 XBig12= 1.00D+00 4.41D-01.
     30 vectors produced by pass  1 Test12= 8.03D-15 2.78D-09 XBig12= 5.62D-02 6.04D-02.
     30 vectors produced by pass  2 Test12= 8.03D-15 2.78D-09 XBig12= 9.39D-04 8.42D-03.
     30 vectors produced by pass  3 Test12= 8.03D-15 2.78D-09 XBig12= 1.26D-05 6.64D-04.
     30 vectors produced by pass  4 Test12= 8.03D-15 2.78D-09 XBig12= 9.11D-08 4.23D-05.
     30 vectors produced by pass  5 Test12= 8.03D-15 2.78D-09 XBig12= 4.07D-10 2.83D-06.
     30 vectors produced by pass  6 Test12= 8.03D-15 2.78D-09 XBig12= 1.71D-12 1.98D-07.
     15 vectors produced by pass  7 Test12= 8.03D-15 2.78D-09 XBig12= 7.12D-15 1.07D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   225 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=    7140 ScalPx= 1.63D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=    7140 ScalPx= 1.63D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=    7140 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.02D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.669879D+02 -0.140559D+01  0.339948D+00
      2  -0.140559D+01  0.480493D+02  0.953090D+00
      3   0.339948D+00  0.953090D+00  0.428204D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.605735D+00  0.466113D+01  0.626395D+01
      2  -0.139308D+02  0.975699D+00  0.438103D+01
      3   0.556178D+01 -0.844762D+01 -0.332191D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.231017D+02 -0.140467D+02 -0.712920D+01
      2  -0.570852D+01  0.328486D+01 -0.450689D+01
      3  -0.173931D+02  0.107618D+02  0.116361D+02
      4  -0.308783D+02  0.258546D+02  0.141034D+01
      5   0.117722D+01  0.107795D+01  0.117042D+02
      6   0.825659D+00  0.679256D+00 -0.691838D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    15 ND12= 1 LenFil=     543:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.110697D+02  0.458351D+01  0.183051D+01  0.858096D+01 -0.995223D+00
      2   0.458351D+01  0.302220D+00  0.210577D-01 -0.995223D+00  0.211150D+01
      3   0.183051D+01  0.210577D-01  0.151264D+01  0.158276D+00  0.105498D+01
                 6             7             8             9            10 
      1   0.158276D+00  0.239411D+01 -0.227140D+00 -0.364496D+00  0.114072D+02
      2   0.105498D+01 -0.227140D+00  0.148938D+01 -0.142824D+01 -0.342800D+01
      3   0.215549D+01 -0.364496D+00 -0.142824D+01 -0.419265D+01 -0.778569D+00
                11            12            13            14            15 
      1  -0.342800D+01 -0.778569D+00 -0.338322D+01  0.550133D+01  0.307274D+00
      2   0.339309D+01  0.230057D+00  0.550133D+01 -0.639922D+01 -0.695654D+00
      3   0.230057D+00  0.175234D+01  0.307274D+00 -0.695654D+00 -0.119519D+01
                16            17            18            19            20 
      1  -0.144670D+01  0.313009D+00  0.404224D+01 -0.223507D+02 -0.250669D+01
      2   0.313009D+00 -0.104369D+01 -0.188070D+01 -0.250669D+01 -0.427258D+01
      3   0.404224D+01 -0.188070D+01 -0.133333D+01 -0.135156D+01 -0.220157D+00
                21            22            23            24            25 
      1  -0.135156D+01 -0.449340D+01 -0.583412D+01 -0.309223D+00 -0.263961D+01
      2  -0.220157D+00 -0.583412D+01 -0.265023D+01 -0.565229D+00 -0.198722D+00
      3  -0.310230D+01 -0.309223D+00 -0.565229D+00 -0.784994D+00 -0.526141D+01
                26            27            28            29            30 
      1  -0.198722D+00 -0.526141D+01  0.514153D+00  0.167995D+01 -0.385615D+00
      2  -0.919106D+00 -0.742495D+00  0.167995D+01  0.454425D+00 -0.132927D+00
      3  -0.742495D+00 -0.148928D+01 -0.385615D+00 -0.132927D+00 -0.241424D+00
                31            32            33            34            35 
      1  -0.287378D+00  0.903457D+00 -0.303212D+00 -0.460873D+00 -0.109214D+00
      2   0.903457D+00  0.596079D+01 -0.104474D+01 -0.109214D+00 -0.126152D+01
      3  -0.303212D+00 -0.104474D+01 -0.802230D+00  0.557335D+00  0.201397D+01
                36            37            38            39            40 
      1   0.557335D+00 -0.640337D+00 -0.328768D+00  0.685233D+00 -0.416965D+00
      2   0.201397D+01 -0.328768D+00  0.122854D+00  0.101969D+00  0.424560D+00
      3  -0.316964D+00  0.685233D+00  0.101969D+00  0.787432D-01  0.146885D+00
                41            42            43            44            45 
      1   0.424560D+00  0.146885D+00  0.215307D+01  0.222068D+00  0.102633D+01
      2   0.977166D+00  0.125065D+01  0.222068D+00  0.173494D+01  0.203747D+01
      3   0.125065D+01  0.626926D+00  0.102633D+01  0.203747D+01  0.733223D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.408298D+01 -0.666355D+00 -0.573267D+00 -0.173330D+01 -0.871654D+00
      2  -0.701405D+01 -0.243667D+01 -0.844601D+01 -0.553626D+01  0.131016D+01
      3   0.385676D+01  0.367473D+01 -0.470015D+00  0.159252D+02 -0.124782D+01
                 6             7             8             9            10 
      1   0.920141D+00 -0.373555D+00  0.797787D+01  0.724194D+00 -0.171183D+01
      2   0.994678D+00 -0.216345D+02 -0.174242D-02 -0.147800D+01 -0.551343D+01
      3  -0.382962D-01  0.221872D+01 -0.165830D+01  0.653776D+00  0.494277D+01
                11            12            13            14            15 
      1   0.131037D+01  0.159780D+01  0.257007D+01 -0.227547D+01 -0.704394D+01
      2   0.257938D+01  0.118968D+02  0.166077D+01 -0.341831D+01 -0.344644D+01
      3  -0.133514D+02 -0.358769D+00  0.155405D+01  0.841675D+01  0.452443D+00
                16            17            18            19            20 
      1  -0.127182D+01  0.595818D+01 -0.951349D+00 -0.101280D+01 -0.116907D+01
      2  -0.191768D+01 -0.157184D+01 -0.372176D+01  0.125589D+02  0.110912D+01
      3   0.288585D+00  0.146638D+01  0.271123D+01 -0.103894D+02 -0.114164D+02
                21            22            23            24            25 
      1  -0.982954D-01 -0.182134D+01 -0.714475D+00 -0.963028D+01  0.167729D+01
      2   0.133397D+02  0.243190D+01  0.261355D+01  0.800675D+00 -0.875137D+01
      3  -0.112742D+00  0.823768D+01 -0.213807D+01  0.128754D-01 -0.968738D+00
                26            27            28            29            30 
      1   0.928088D+01 -0.754528D-01 -0.824757D+00  0.175412D+00 -0.944875D+00
      2   0.545203D-01  0.286882D+01  0.715207D+00 -0.546089D+00  0.286126D+01
      3  -0.253114D+00 -0.173867D+01  0.194935D+01 -0.101765D+01  0.265306D+00
                31            32            33            34            35 
      1   0.390038D+00  0.245928D+01 -0.567196D+01 -0.244459D+00 -0.108398D+01
      2   0.180593D+01 -0.930319D+00  0.145243D+01  0.146975D+01  0.117331D+01
      3   0.801085D+01 -0.520261D+01  0.422246D+00 -0.321761D+01  0.144496D+01
                36            37            38            39            40 
      1   0.318070D+01 -0.533597D+00  0.349642D+00  0.186329D-01  0.425001D+00
      2  -0.119072D+01 -0.577094D+00 -0.229747D+00  0.175820D+01 -0.362352D+00
      3  -0.995420D+00  0.343474D+00 -0.191431D+01  0.200175D+00 -0.237083D+00
                41            42            43            44            45 
      1   0.926333D+00  0.161453D-01 -0.490405D+00  0.189206D+01 -0.240204D+01
      2   0.424918D+00  0.198661D+00 -0.265688D+01  0.104847D+01  0.335180D+01
      3  -0.530970D+00 -0.679407D+00  0.167904D+01 -0.999924D+00 -0.630916D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.367000D+02  0.308623D+01 -0.237532D+00  0.627687D+01 -0.543040D-01
      2   0.218645D+02 -0.479456D+00  0.641280D+00 -0.252749D+01 -0.705138D+01
      3   0.148355D+02 -0.260678D+01 -0.403748D+00 -0.374939D+01  0.710568D+01
      4   0.273430D+01 -0.243347D+02 -0.149427D+01 -0.113705D+02  0.278963D+01
      5   0.731764D+00 -0.478310D+00 -0.188359D+02 -0.106282D+01  0.132797D+01
      6   0.192305D+01  0.546054D+00  0.121852D+01  0.384729D+00  0.123881D+01
                 6             7             8             9            10 
      1  -0.285388D+01  0.248817D+01 -0.883072D+00  0.920099D+01  0.596378D+02
      2   0.335216D+01  0.641828D+00  0.526469D+01  0.261757D+01 -0.296137D+02
      3  -0.498279D+00 -0.312999D+01 -0.438162D+01 -0.118186D+02 -0.300241D+02
      4   0.216828D+01 -0.277763D+01  0.371392D+01 -0.224682D+01 -0.213693D+02
      5   0.215920D+01  0.126809D+01 -0.160348D+01 -0.453665D+01 -0.313107D+01
      6  -0.472866D+01 -0.310486D+00 -0.404920D+00 -0.573188D+01 -0.232880D+00
                11            12            13            14            15 
      1  -0.109581D+02 -0.296839D+01 -0.105469D+02  0.882732D+00  0.887702D+00
      2   0.227810D+01  0.124358D+01 -0.105710D+01  0.154820D+02  0.101313D+00
      3   0.867998D+01  0.172481D+01  0.116040D+02 -0.163647D+02 -0.989015D+00
      4   0.291708D+02  0.168604D+01  0.351273D+02 -0.256954D+02 -0.294907D+01
      5   0.920230D+00  0.220691D+02  0.669945D+00 -0.170228D+01 -0.700402D+01
      6  -0.958061D+00 -0.349041D+01 -0.471096D+00  0.525409D+00  0.142089D+02
                16            17            18            19            20 
      1  -0.496133D+01  0.168756D+01 -0.959548D+00  0.605045D+02  0.449629D+01
      2   0.286576D+01 -0.328866D-01 -0.114240D+02 -0.341681D+02 -0.219685D+01
      3   0.209557D+01 -0.165468D+01  0.123836D+02 -0.263364D+02 -0.229944D+01
      4   0.261844D+01 -0.441437D+01 -0.656052D+01  0.109198D+02  0.270796D+02
      5   0.272113D+02 -0.674351D+01 -0.486026D+01  0.176251D+01  0.146619D+00
      6  -0.552438D+01  0.137275D+02  0.645976D+00 -0.141873D+01  0.526318D+00
                21            22            23            24            25 
      1   0.317717D+01  0.544306D+01 -0.943436D+01  0.944513D+00  0.396011D+01
      2  -0.129702D+01 -0.210844D+01  0.211203D+02 -0.432217D+00 -0.231815D+01
      3  -0.188014D+01 -0.333462D+01 -0.116859D+02 -0.512297D+00 -0.164197D+01
      4   0.738230D+00  0.331149D+02  0.542919D+01  0.964571D+00  0.149091D+01
      5   0.273376D+02  0.136550D+00 -0.121665D+00  0.246373D+01  0.304274D+02
      6   0.822916D+00  0.108300D+00 -0.504464D+00  0.187650D+02  0.965345D+00
                26            27            28            29            30 
      1   0.117445D+01 -0.119567D+02  0.274676D+01  0.161078D+01 -0.543336D+00
      2  -0.356838D+00 -0.142346D+02  0.140113D+01  0.156471D+01  0.419376D+00
      3  -0.817612D+00  0.261913D+02 -0.414790D+01 -0.317548D+01  0.123960D+00
      4   0.151108D+01  0.158083D+01  0.596391D+01  0.117500D+02 -0.190061D+01
      5   0.991148D+00  0.189867D+01 -0.119023D+01 -0.149394D+01  0.480740D+01
      6   0.184822D+02 -0.670024D+00 -0.194858D+01 -0.266280D+00  0.111173D+01
                31            32            33            34            35 
      1   0.625212D+00 -0.187125D+02  0.353359D+01 -0.109326D+01  0.407407D+01
      2   0.331841D+01  0.325978D+02 -0.273921D+01  0.358824D+00 -0.580616D+01
      3  -0.394363D+01 -0.138852D+02 -0.794382D+00  0.734439D+00  0.173209D+01
      4   0.766053D+01  0.146897D+02 -0.169645D+01 -0.199068D+01 -0.354892D+01
      5  -0.704067D+00 -0.109152D+01  0.148561D+01  0.351656D+01  0.324565D+01
      6  -0.425909D+00 -0.410007D+01  0.817453D+01  0.195665D+01  0.954980D+01
                36            37            38            39            40 
      1  -0.613615D+01  0.312813D+01 -0.109336D+00  0.102535D+01 -0.861207D+00
      2   0.392055D+01 -0.414246D+01 -0.229438D+00 -0.123384D+01  0.500497D+00
      3   0.221561D+01  0.101433D+01  0.338774D+00  0.208490D+00  0.360710D+00
      4   0.389057D+01  0.345676D+00  0.438349D+01  0.192370D+01  0.245565D+01
      5  -0.173882D+01  0.216697D+01  0.185849D+01  0.744208D+01  0.960388D+00
      6  -0.456600D+01  0.167714D+01  0.151969D+00  0.337246D+00  0.743925D+00
                41            42            43            44            45 
      1  -0.471443D+01 -0.314732D+01 -0.620316D+00 -0.668840D+01 -0.186955D+02
      2   0.191712D+01  0.988739D+00 -0.177490D+01  0.295797D+00 -0.942634D+01
      3   0.279731D+01  0.215858D+01  0.239521D+01  0.639261D+01  0.281219D+02
      4   0.138133D+01  0.185262D+01  0.658967D+00  0.273828D+01  0.333594D+01
      5   0.158750D+01  0.895476D+00  0.456458D+01  0.270460D+01  0.957702D+01
      6   0.379341D+01  0.640055D+01  0.150729D+01  0.669474D+01  0.112750D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 20:16:29 2021, MaxMem=  6442450944 cpu:             265.7 elap:              33.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -483.09171-101.72121 -62.67226 -56.48039 -56.47646
 Alpha  occ. eigenvalues --  -56.47641 -24.87600 -10.51142  -9.62506  -8.84072
 Alpha  occ. eigenvalues --   -7.37945  -7.36924  -7.36904  -6.66674  -6.65272
 Alpha  occ. eigenvalues --   -6.65254  -2.77027  -2.76634  -2.76620  -2.75503
 Alpha  occ. eigenvalues --   -2.75503  -1.36096  -1.00097  -0.91184  -0.77775
 Alpha  occ. eigenvalues --   -0.66803  -0.62538  -0.61625  -0.50941  -0.49148
 Alpha  occ. eigenvalues --   -0.43956  -0.42000  -0.39795  -0.39046
 Alpha virt. eigenvalues --    0.01585   0.06764   0.08378   0.09867   0.10667
 Alpha virt. eigenvalues --    0.10863   0.13240   0.14427   0.15198   0.15573
 Alpha virt. eigenvalues --    0.17597   0.19308   0.20150   0.20858   0.24433
 Alpha virt. eigenvalues --    0.25951   0.26410   0.27231   0.29669   0.32252
 Alpha virt. eigenvalues --    0.33188   0.33688   0.35329   0.37035   0.37225
 Alpha virt. eigenvalues --    0.40136   0.40918   0.42249   0.44981   0.45802
 Alpha virt. eigenvalues --    0.47892   0.50666   0.52215   0.54168   0.56573
 Alpha virt. eigenvalues --    0.66323   0.70288   0.72301   0.76124   0.77960
 Alpha virt. eigenvalues --    0.79750   0.80343   0.80996   0.83585   0.86448
 Alpha virt. eigenvalues --    0.87220   0.90634   0.92786   0.97250   0.98360
 Alpha virt. eigenvalues --    1.00692   1.01838   1.02595   1.05535   1.06359
 Alpha virt. eigenvalues --    1.07135   1.11274   1.20488   1.23960   1.30192
 Alpha virt. eigenvalues --    1.33621   1.43204   1.60181   1.63694   1.64859
 Alpha virt. eigenvalues --    1.80013   1.91199   2.03398   2.05261   2.14221
 Alpha virt. eigenvalues --    2.24599   2.29124   2.32956   2.38015   2.97277
 Alpha virt. eigenvalues --    3.42213   3.43424   3.48240   3.51913   3.64737
 Alpha virt. eigenvalues --    3.65019   3.76797   3.77331   3.93060   3.97785
          Condensed to atoms (all electrons):
               1          2          3          4          5
     1  C    4.645630   0.126302   0.285799   0.042971   0.307678
     2  Cl   0.126302  17.320803  -0.101928  -0.061032  -0.005380
     3  Br   0.285799  -0.101928  34.947799  -0.055495  -0.021627
     4  F    0.042971  -0.061032  -0.055495   9.427016   0.006771
     5  H    0.307678  -0.005380  -0.021627   0.006771   0.610632
 Mulliken charges:
               1
     1  C    0.591619
     2  Cl  -0.278766
     3  Br  -0.054547
     4  F   -0.360232
     5  H    0.101926
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.693545
     2  Cl  -0.278766
     3  Br  -0.054547
     4  F   -0.360232
 Electronic spatial extent (au):  <R**2>=            648.7768
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0207    Y=             -0.0623    Z=              1.2396  Tot=              1.2413
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -41.6071   YY=            -43.4695   ZZ=            -40.5825
   XY=              0.0046   XZ=              1.1427   YZ=              1.5334
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.2793   YY=             -1.5831   ZZ=              1.3039
   XY=              0.0046   XZ=              1.1427   YZ=              1.5334
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -29.6901  YYY=              0.6123  ZZZ=              0.8881  XYY=             -8.0365
  XXY=             -3.3884  XXZ=             -3.1939  XZZ=             -6.9069  YZZ=              2.8258
  YYZ=             -0.5952  XYZ=              1.2648
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -471.1086 YYYY=           -175.9092 ZZZZ=            -57.2540 XXXY=              7.9388
 XXXZ=             -0.8532 YYYX=              7.2076 YYYZ=             -0.3980 ZZZX=              2.1087
 ZZZY=              0.6544 XXYY=           -106.1397 XXZZ=            -92.9367 YYZZ=            -38.3434
 XXYZ=              3.1231 YYXZ=             -0.6188 ZZXY=              4.9943
 N-N= 3.200943245739D+02 E-N=-8.212631368887D+03  KE= 3.167321315503D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 20:16:30 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.05291525D-02-2.55286268D-02 4.79815606D-01
 Polarizability= 5.98927256D+01-1.54519883D+00 4.05019425D+01
                 4.92723801D-01 1.59046193D+00 3.46058326D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1695   -0.1700       -0.7029   -0.7028
 2      0.1695    0.1700       -0.4760   -0.4765       -9.4656   -9.4693
 3      0.7029    0.7028       12.0808   12.0838        0.4760    0.4765
 4      0.4760    0.4765        0.0000    0.0000        0.7027    0.7028
 5     -2.6151   -2.6145       -0.7027   -0.7028       -0.1699   -0.1700
 6     -0.4760   -0.4765        0.1699    0.1700       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.5099    0.5099       -2.1084   -2.1084
 2      1.4296    1.4296       -0.0000    0.0000       -2.1084   -2.1084
 3      1.4296    1.4296        0.5099    0.5099       -0.0000    0.0000
 4      0.5099    0.5099       -1.4296   -1.4296      -28.4079  -28.4079
 5      2.1084    2.1084       36.2514   36.2514        1.4296    1.4296
 6     -7.8434   -7.8434       -2.1084   -2.1084       -0.5099   -0.5099
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4029    0.0000        0.8635    0.6799        3.5216    2.8112
 2     -0.6148   -0.6799        2.3579    1.9062       38.0095   37.8773
 3     -2.9628   -2.8112      -48.0542  -48.3352       -1.9715   -1.9062
 4     -2.0588   -1.9062       -0.0644    0.0000       -2.6966   -2.8112
 5     10.2910   10.4579        2.6981    2.8112        0.8899    0.6799
 6      1.8947    1.9062       -0.8463   -0.6799        0.0874    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0347    0.0000       11.8598   11.8257        9.2774    9.2697
 2    -11.9802  -11.8257       -4.5291   -4.0666       -3.3726   -3.1629
 3     -9.4836   -9.2697        0.4891    0.5471        4.2848    4.0666
 4      3.9775    4.0666       -0.1108    0.0000       -9.4708   -9.2697
 5      2.9669    2.6158        9.3559    9.2697       11.4499   11.8257
 6     -3.9870   -4.0666      -11.7357  -11.8257        0.1893    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     11.7343   11.6846       24.0986   23.9599        0.4685    0.4980
 2     14.0005   14.1504       24.7260   24.8085        0.2791    0.4980
 3     13.9755   14.1504       23.8690   23.9599       -2.9226   -2.6223
 4     -1.0010   -0.8486       -2.7510   -2.4658       -1.7214   -1.8341
 5     -2.9270   -3.1203        0.1196    0.1602        2.5651    2.4658
 6      2.1349    1.6740        3.5063    3.1203        0.7002    0.8486
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.9068    0.0067    0.0075    0.0111    2.4512    4.6877
 Low frequencies ---  220.1431  308.3106  421.2903
 Diagonal vibrational polarizability:
       13.1917743       5.9830010       0.7150335
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --    220.1431               308.3105               421.2903
 Red. masses --     26.5398                21.0395                17.6134
 Frc consts  --      0.7578                 1.1783                 1.8419
 IR Inten    --      0.0495                 0.2395                 0.6739
 RamAct Fr= 1--      4.2959                 3.8618                 5.9321
  Dep-P Fr= 1--      0.3466                 0.3652                 0.1299
  Dep-U Fr= 1--      0.5147                 0.5350                 0.2300
 Alpha2 Fr= 1--      0.0381                 0.0323                 0.0965
 Beta2  Fr= 1--      0.3685                 0.3444                 0.2274
 AlphaG Fr= 1--      0.0130                -0.0249                 0.0080
 Gamma2 Fr= 1--      0.0825                -0.0399                -0.1480
 Delta2 Fr= 1--      0.0242                -0.0317                 0.0300
 Raman1 Fr= 1--      17.184                 15.447                 23.728
 ROA1   Fr= 1--       8.696                 -4.842                -13.251
 CID1   Fr= 1--       0.506                 -0.313                 -0.558
 Raman2 Fr= 1--       4.422                  4.132                  2.729
 ROA2   Fr= 1--       1.787                 -0.704                 -3.793
 CID2   Fr= 1--       0.404                 -0.170                 -1.390
 Raman3 Fr= 1--       8.845                  8.265                  5.458
 ROA3   Fr= 1--       8.696                 -4.842                -13.251
 CID3   Fr= 1--       0.983                 -0.586                 -2.428
 RC180  Fr= 1--       0.029                  0.070                 -0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.36  -0.08     0.10   0.24  -0.10     0.15   0.27  -0.36
     2  17     0.64   0.11   0.02    -0.07   0.17  -0.01     0.21  -0.36   0.05
     3  35    -0.30   0.10   0.01    -0.18  -0.16   0.01    -0.08  -0.04   0.01
     4   9     0.00  -0.34  -0.02     0.84   0.19   0.04    -0.17   0.62   0.11
     5   1    -0.00  -0.46  -0.06    -0.18   0.21  -0.09     0.21   0.06  -0.35
                      4                      5                      6
                      A                      A                      A
 Frequencies --    644.8537               752.9321              1080.7938
 Red. masses --      5.6839                 8.0982                11.5581
 Frc consts  --      1.3926                 2.7049                 7.9547
 IR Inten    --     66.9507               199.4254               196.1233
 RamAct Fr= 1--     20.1793                 4.7074                 2.8879
  Dep-P Fr= 1--      0.1137                 0.6448                 0.5609
  Dep-U Fr= 1--      0.2041                 0.7841                 0.7187
 Alpha2 Fr= 1--      0.3416                 0.0089                 0.0104
 Beta2  Fr= 1--      0.6865                 0.6152                 0.3459
 AlphaG Fr= 1--      0.0445                -0.0086                -0.0001
 Gamma2 Fr= 1--     -0.6345                 1.1468                 0.0684
 Delta2 Fr= 1--      0.1225                -0.1376                 0.0246
 Raman1 Fr= 1--      80.717                 18.830                 11.552
 ROA1   Fr= 1--     -56.995                105.692                  7.353
 CID1   Fr= 1--      -0.706                  5.613                  0.637
 Raman2 Fr= 1--       8.238                  7.382                  4.151
 ROA2   Fr= 1--     -16.209                 28.624                  1.445
 CID2   Fr= 1--      -1.968                  3.878                  0.348
 Raman3 Fr= 1--      16.475                 14.764                  8.302
 ROA3   Fr= 1--     -56.995                105.692                  7.353
 CID3   Fr= 1--      -3.459                  7.159                  0.886
 RC180  Fr= 1--      -0.592                  0.568                  0.437
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.35   0.22   0.44     0.60  -0.30  -0.27     0.13   0.64  -0.39
     2  17     0.01  -0.04  -0.04    -0.13   0.10   0.09    -0.00  -0.00   0.00
     3  35    -0.05  -0.02  -0.04    -0.02   0.00  -0.00     0.00   0.00   0.00
     4   9    -0.06  -0.03  -0.07    -0.08   0.02   0.04    -0.08  -0.41   0.24
     5   1     0.48   0.45   0.42     0.45  -0.41  -0.26    -0.12   0.24  -0.34
                      7                      8                      9
                      A                      A                      A
 Frequencies --   1217.2294              1325.7234              3153.3835
 Red. masses --      1.0950                 1.1129                 1.0883
 Frc consts  --      0.9559                 1.1524                 6.3763
 IR Inten    --     65.2114                12.2218                 1.0582
 RamAct Fr= 1--      3.4284                 4.0715                71.7521
  Dep-P Fr= 1--      0.3313                 0.4804                 0.1966
  Dep-U Fr= 1--      0.4977                 0.6490                 0.3286
 Alpha2 Fr= 1--      0.0319                 0.0220                 0.9833
 Beta2  Fr= 1--      0.2844                 0.4404                 3.9293
 AlphaG Fr= 1--      0.0711                -0.0144                -0.0528
 Gamma2 Fr= 1--      0.3859                -0.2050                 0.2873
 Delta2 Fr= 1--      0.0596                 0.0785                -0.2707
 Raman1 Fr= 1--      13.714                 16.286                287.008
 ROA1   Fr= 1--      38.957                -17.166                 18.922
 CID1   Fr= 1--       2.841                 -1.054                  0.066
 Raman2 Fr= 1--       3.413                  5.285                 47.152
 ROA2   Fr= 1--       8.785                 -5.547                  9.061
 CID2   Fr= 1--       2.574                 -1.050                  0.192
 Raman3 Fr= 1--       6.826                 10.570                 94.303
 ROA3   Fr= 1--      38.957                -17.166                 18.922
 CID3   Fr= 1--       5.707                 -1.624                  0.201
 RC180  Fr= 1--      -0.005                  0.298                 -0.343
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.01  -0.02    -0.01  -0.08  -0.03    -0.00  -0.01  -0.08
     2  17    -0.00   0.01   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3  35    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   9     0.01  -0.01   0.01    -0.00  -0.00   0.04     0.00   0.00   0.00
     5   1     0.99  -0.07  -0.04     0.06   0.98  -0.15     0.03   0.11   0.99

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 17 and mass  34.96885
 Atom     3 has atomic number 35 and mass  78.91834
 Atom     4 has atomic number  9 and mass  18.99840
 Atom     5 has atomic number  1 and mass   1.00783
 Molecular mass:   145.89342 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   281.00668 908.957091152.75840
           X            0.99995  -0.00934   0.00402
           Y            0.00927   0.99982   0.01651
           Z           -0.00417  -0.01647   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.30823     0.09529     0.07514
 Rotational constants (GHZ):           6.42241     1.98551     1.56558
 Zero-point vibrational energy      54577.6 (Joules/Mol)
                                   13.04436 (Kcal/Mol)
 Warning -- explicit consideration of   3 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    316.74   443.59   606.14   927.80  1083.30
          (Kelvin)           1555.02  1751.32  1907.42  4537.02
 
 Zero-point correction=                           0.020788 (Hartree/Particle)
 Thermal correction to Energy=                    0.025132
 Thermal correction to Enthalpy=                  0.026076
 Thermal correction to Gibbs Free Energy=        -0.008608
 Sum of electronic and zero-point Energies=          -3172.995939
 Sum of electronic and thermal Energies=             -3172.991595
 Sum of electronic and thermal Enthalpies=           -3172.990651
 Sum of electronic and thermal Free Energies=        -3173.025334
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   15.770             13.150             72.998
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.844
 Rotational               0.889              2.981             27.179
 Vibrational             13.993              7.189              4.975
 Vibration     1          0.647              1.810              1.958
 Vibration     2          0.698              1.658              1.371
 Vibration     3          0.784              1.424              0.888
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.910574D+04          3.959315          9.116660
 Total V=0       0.331814D+14         13.520895         31.133011
 Vib (Bot)       0.676804D-09         -9.169537        -21.113640
 Vib (Bot)    1  0.898468D+00         -0.046497         -0.107064
 Vib (Bot)    2  0.613919D+00         -0.211889         -0.487893
 Vib (Bot)    3  0.416378D+00         -0.380513         -0.876163
 Vib (V=0)       0.246628D+01          0.392043          0.902712
 Vib (V=0)    1  0.152822D+01          0.184187          0.424107
 Vib (V=0)    2  0.129177D+01          0.111184          0.256012
 Vib (V=0)    3  0.115067D+01          0.060950          0.140344
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.692640D+08          7.840507         18.053436
 Rotational      0.194243D+06          5.288345         12.176864
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                                                                         1   1     1                                           
     1                                                                         3   2     0            7    6        4   3   2        
     5                                                                         2   1     8            5    4        2   0   2        
     3                                                                         6   7     1            3    5        1   8   0        
 
     X                                                                         X   X     X            X    X        X   X            
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000376    0.000007596    0.000008380
      2       17          -0.000005249   -0.000002155   -0.000004880
      3       35           0.000006364   -0.000001735    0.000001409
      4        9          -0.000001304   -0.000002289   -0.000003894
      5        1          -0.000000188   -0.000001417   -0.000001014
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000008380 RMS     0.000004121
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.243316D+00
      2  0.944894D-02  0.345246D+00
      3 -0.750868D-02 -0.135628D-01  0.564762D+00
      4 -0.759742D-01  0.392777D-01  0.364195D-01  0.115290D+00
      5  0.317880D-01 -0.587631D-01 -0.318815D-01 -0.779008D-01  0.107857D+00
      6  0.221968D-01 -0.206848D-01 -0.581604D-01 -0.351626D-01  0.299508D-01
      7 -0.702310D-01 -0.147378D-01 -0.333916D-01 -0.342684D-01  0.708698D-02
      8 -0.119859D-01 -0.262034D-01 -0.126933D-01  0.829409D-02  0.539661D-02
      9 -0.197735D-01 -0.801973D-02 -0.430829D-01  0.280635D-02  0.169533D-02
     10 -0.611045D-01 -0.310879D-01  0.222137D-01  0.286213D-02  0.242599D-01
     11 -0.269721D-01 -0.213011D+00  0.110690D+00  0.206874D-01 -0.478458D-01
     12  0.154907D-01  0.810553D-01 -0.130831D+00 -0.641041D-02  0.351968D-02
     13 -0.360061D-01 -0.290088D-02 -0.177329D-01 -0.790979D-02  0.147659D-01
     14 -0.227883D-02 -0.472682D-01 -0.525527D-01  0.964160D-02 -0.664483D-02
     15 -0.104053D-01 -0.387879D-01 -0.332687D+00  0.234723D-02 -0.328426D-02
                6             7             8             9            10 
      6  0.409478D-01
      7 -0.256157D-03  0.137170D+00
      8  0.200933D-02  0.413150D-01  0.409488D-01
      9  0.566192D-02  0.289149D-01  0.983497D-02  0.275773D-01
     10 -0.742308D-02 -0.167381D-01 -0.283901D-01  0.800435D-02  0.682318D-01
     11  0.548366D-02 -0.278658D-01 -0.212061D-01  0.282231D-02  0.378257D-01
     12  0.119779D-01  0.672376D-02  0.198407D-02  0.894446D-02 -0.243323D-01
     13  0.206451D-01 -0.159320D-01 -0.923302D-02 -0.199521D-01  0.674878D-02
     14 -0.167590D-01 -0.579830D-02  0.106409D-02 -0.633288D-02 -0.260764D-02
     15 -0.427250D-03 -0.199091D-02 -0.113504D-02  0.899157D-03  0.153730D-02
               11            12            13            14            15 
     11  0.293965D+00
     12 -0.130687D+00  0.124021D+00
     13 -0.367516D-02  0.852824D-02  0.530991D-01
     14 -0.119017D-01  0.441277D-01  0.104317D-02  0.647506D-01
     15  0.116904D-01 -0.141126D-01  0.851170D-02  0.315168D-01  0.346328D+00
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.669879D+02 -0.140559D+01  0.339948D+00
      2  -0.140559D+01  0.480493D+02  0.953090D+00
      3   0.339948D+00  0.953090D+00  0.428204D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.605736D+00  0.466113D+01  0.626395D+01
      2  -0.139308D+02  0.975700D+00  0.438103D+01
      3   0.556178D+01 -0.844762D+01 -0.332191D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.231017D+02 -0.140467D+02 -0.712920D+01
      2  -0.570852D+01  0.328486D+01 -0.450689D+01
      3  -0.173931D+02  0.107618D+02  0.116361D+02
      4  -0.308783D+02  0.258546D+02  0.141034D+01
      5   0.117722D+01  0.107795D+01  0.117042D+02
      6   0.825659D+00  0.679256D+00 -0.691838D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    15 ND12= 1 LenFil=     543:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.110697D+02  0.458351D+01  0.183051D+01  0.858096D+01 -0.995223D+00
      2   0.458351D+01  0.302220D+00  0.210577D-01 -0.995223D+00  0.211150D+01
      3   0.183051D+01  0.210577D-01  0.151264D+01  0.158276D+00  0.105498D+01
                 6             7             8             9            10 
      1   0.158276D+00  0.239411D+01 -0.227140D+00 -0.364496D+00  0.114072D+02
      2   0.105498D+01 -0.227140D+00  0.148938D+01 -0.142824D+01 -0.342800D+01
      3   0.215549D+01 -0.364496D+00 -0.142824D+01 -0.419265D+01 -0.778569D+00
                11            12            13            14            15 
      1  -0.342800D+01 -0.778569D+00 -0.338322D+01  0.550133D+01  0.307274D+00
      2   0.339309D+01  0.230057D+00  0.550133D+01 -0.639923D+01 -0.695654D+00
      3   0.230057D+00  0.175234D+01  0.307274D+00 -0.695654D+00 -0.119519D+01
                16            17            18            19            20 
      1  -0.144670D+01  0.313009D+00  0.404224D+01 -0.223507D+02 -0.250669D+01
      2   0.313009D+00 -0.104369D+01 -0.188070D+01 -0.250669D+01 -0.427258D+01
      3   0.404224D+01 -0.188070D+01 -0.133333D+01 -0.135156D+01 -0.220157D+00
                21            22            23            24            25 
      1  -0.135156D+01 -0.449340D+01 -0.583412D+01 -0.309223D+00 -0.263961D+01
      2  -0.220157D+00 -0.583412D+01 -0.265023D+01 -0.565229D+00 -0.198721D+00
      3  -0.310230D+01 -0.309223D+00 -0.565229D+00 -0.784994D+00 -0.526141D+01
                26            27            28            29            30 
      1  -0.198721D+00 -0.526141D+01  0.514153D+00  0.167995D+01 -0.385616D+00
      2  -0.919106D+00 -0.742495D+00  0.167995D+01  0.454425D+00 -0.132927D+00
      3  -0.742495D+00 -0.148928D+01 -0.385616D+00 -0.132927D+00 -0.241424D+00
                31            32            33            34            35 
      1  -0.287378D+00  0.903457D+00 -0.303212D+00 -0.460873D+00 -0.109214D+00
      2   0.903457D+00  0.596079D+01 -0.104474D+01 -0.109214D+00 -0.126152D+01
      3  -0.303212D+00 -0.104474D+01 -0.802230D+00  0.557335D+00  0.201397D+01
                36            37            38            39            40 
      1   0.557335D+00 -0.640337D+00 -0.328768D+00  0.685233D+00 -0.416965D+00
      2   0.201397D+01 -0.328768D+00  0.122854D+00  0.101969D+00  0.424560D+00
      3  -0.316964D+00  0.685233D+00  0.101969D+00  0.787432D-01  0.146885D+00
                41            42            43            44            45 
      1   0.424560D+00  0.146885D+00  0.215307D+01  0.222068D+00  0.102633D+01
      2   0.977166D+00  0.125065D+01  0.222068D+00  0.173494D+01  0.203747D+01
      3   0.125065D+01  0.626926D+00  0.102633D+01  0.203747D+01  0.733223D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.408298D+01 -0.666355D+00 -0.573267D+00 -0.173330D+01 -0.871654D+00
      2  -0.701405D+01 -0.243667D+01 -0.844601D+01 -0.553625D+01  0.131016D+01
      3   0.385676D+01  0.367473D+01 -0.470015D+00  0.159252D+02 -0.124782D+01
                 6             7             8             9            10 
      1   0.920141D+00 -0.373555D+00  0.797787D+01  0.724194D+00 -0.171183D+01
      2   0.994678D+00 -0.216345D+02 -0.174219D-02 -0.147800D+01 -0.551343D+01
      3  -0.382962D-01  0.221872D+01 -0.165830D+01  0.653776D+00  0.494277D+01
                11            12            13            14            15 
      1   0.131037D+01  0.159780D+01  0.257007D+01 -0.227547D+01 -0.704394D+01
      2   0.257938D+01  0.118968D+02  0.166077D+01 -0.341831D+01 -0.344644D+01
      3  -0.133514D+02 -0.358769D+00  0.155405D+01  0.841675D+01  0.452443D+00
                16            17            18            19            20 
      1  -0.127182D+01  0.595818D+01 -0.951349D+00 -0.101280D+01 -0.116907D+01
      2  -0.191768D+01 -0.157184D+01 -0.372176D+01  0.125589D+02  0.110912D+01
      3   0.288585D+00  0.146638D+01  0.271123D+01 -0.103894D+02 -0.114164D+02
                21            22            23            24            25 
      1  -0.982953D-01 -0.182134D+01 -0.714475D+00 -0.963028D+01  0.167729D+01
      2   0.133397D+02  0.243190D+01  0.261355D+01  0.800675D+00 -0.875137D+01
      3  -0.112742D+00  0.823768D+01 -0.213807D+01  0.128754D-01 -0.968738D+00
                26            27            28            29            30 
      1   0.928088D+01 -0.754528D-01 -0.824757D+00  0.175412D+00 -0.944875D+00
      2   0.545203D-01  0.286882D+01  0.715207D+00 -0.546089D+00  0.286126D+01
      3  -0.253114D+00 -0.173867D+01  0.194935D+01 -0.101765D+01  0.265306D+00
                31            32            33            34            35 
      1   0.390038D+00  0.245928D+01 -0.567195D+01 -0.244459D+00 -0.108398D+01
      2   0.180593D+01 -0.930319D+00  0.145243D+01  0.146975D+01  0.117331D+01
      3   0.801085D+01 -0.520261D+01  0.422246D+00 -0.321761D+01  0.144496D+01
                36            37            38            39            40 
      1   0.318070D+01 -0.533597D+00  0.349642D+00  0.186329D-01  0.425001D+00
      2  -0.119072D+01 -0.577094D+00 -0.229747D+00  0.175820D+01 -0.362352D+00
      3  -0.995420D+00  0.343474D+00 -0.191431D+01  0.200175D+00 -0.237083D+00
                41            42            43            44            45 
      1   0.926333D+00  0.161454D-01 -0.490405D+00  0.189206D+01 -0.240204D+01
      2   0.424918D+00  0.198661D+00 -0.265688D+01  0.104847D+01  0.335180D+01
      3  -0.530970D+00 -0.679407D+00  0.167904D+01 -0.999924D+00 -0.630916D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.367000D+02  0.308623D+01 -0.237532D+00  0.627687D+01 -0.543041D-01
      2   0.218645D+02 -0.479456D+00  0.641280D+00 -0.252749D+01 -0.705138D+01
      3   0.148355D+02 -0.260678D+01 -0.403748D+00 -0.374939D+01  0.710568D+01
      4   0.273430D+01 -0.243347D+02 -0.149427D+01 -0.113705D+02  0.278963D+01
      5   0.731764D+00 -0.478310D+00 -0.188359D+02 -0.106282D+01  0.132797D+01
      6   0.192305D+01  0.546054D+00  0.121852D+01  0.384729D+00  0.123881D+01
                 6             7             8             9            10 
      1  -0.285388D+01  0.248817D+01 -0.883072D+00  0.920099D+01  0.596378D+02
      2   0.335216D+01  0.641828D+00  0.526469D+01  0.261757D+01 -0.296137D+02
      3  -0.498279D+00 -0.312999D+01 -0.438162D+01 -0.118186D+02 -0.300241D+02
      4   0.216828D+01 -0.277763D+01  0.371392D+01 -0.224682D+01 -0.213693D+02
      5   0.215920D+01  0.126809D+01 -0.160348D+01 -0.453665D+01 -0.313107D+01
      6  -0.472866D+01 -0.310486D+00 -0.404920D+00 -0.573188D+01 -0.232879D+00
                11            12            13            14            15 
      1  -0.109581D+02 -0.296839D+01 -0.105469D+02  0.882731D+00  0.887702D+00
      2   0.227810D+01  0.124358D+01 -0.105710D+01  0.154820D+02  0.101313D+00
      3   0.867998D+01  0.172481D+01  0.116040D+02 -0.163647D+02 -0.989015D+00
      4   0.291708D+02  0.168604D+01  0.351273D+02 -0.256954D+02 -0.294907D+01
      5   0.920230D+00  0.220691D+02  0.669945D+00 -0.170228D+01 -0.700402D+01
      6  -0.958061D+00 -0.349041D+01 -0.471096D+00  0.525409D+00  0.142089D+02
                16            17            18            19            20 
      1  -0.496133D+01  0.168756D+01 -0.959548D+00  0.605045D+02  0.449629D+01
      2   0.286576D+01 -0.328865D-01 -0.114240D+02 -0.341681D+02 -0.219685D+01
      3   0.209557D+01 -0.165468D+01  0.123836D+02 -0.263364D+02 -0.229944D+01
      4   0.261844D+01 -0.441437D+01 -0.656052D+01  0.109198D+02  0.270796D+02
      5   0.272113D+02 -0.674351D+01 -0.486026D+01  0.176251D+01  0.146619D+00
      6  -0.552438D+01  0.137275D+02  0.645976D+00 -0.141873D+01  0.526318D+00
                21            22            23            24            25 
      1   0.317717D+01  0.544306D+01 -0.943436D+01  0.944513D+00  0.396011D+01
      2  -0.129702D+01 -0.210844D+01  0.211203D+02 -0.432217D+00 -0.231815D+01
      3  -0.188014D+01 -0.333462D+01 -0.116859D+02 -0.512297D+00 -0.164197D+01
      4   0.738230D+00  0.331149D+02  0.542919D+01  0.964571D+00  0.149091D+01
      5   0.273376D+02  0.136550D+00 -0.121665D+00  0.246373D+01  0.304274D+02
      6   0.822916D+00  0.108300D+00 -0.504464D+00  0.187650D+02  0.965345D+00
                26            27            28            29            30 
      1   0.117445D+01 -0.119567D+02  0.274676D+01  0.161078D+01 -0.543336D+00
      2  -0.356838D+00 -0.142346D+02  0.140113D+01  0.156471D+01  0.419376D+00
      3  -0.817612D+00  0.261913D+02 -0.414790D+01 -0.317548D+01  0.123960D+00
      4   0.151108D+01  0.158083D+01  0.596391D+01  0.117500D+02 -0.190061D+01
      5   0.991147D+00  0.189867D+01 -0.119023D+01 -0.149394D+01  0.480740D+01
      6   0.184822D+02 -0.670024D+00 -0.194858D+01 -0.266280D+00  0.111173D+01
                31            32            33            34            35 
      1   0.625212D+00 -0.187125D+02  0.353359D+01 -0.109326D+01  0.407407D+01
      2   0.331841D+01  0.325978D+02 -0.273921D+01  0.358824D+00 -0.580616D+01
      3  -0.394363D+01 -0.138852D+02 -0.794382D+00  0.734439D+00  0.173209D+01
      4   0.766053D+01  0.146897D+02 -0.169645D+01 -0.199068D+01 -0.354892D+01
      5  -0.704067D+00 -0.109152D+01  0.148561D+01  0.351656D+01  0.324565D+01
      6  -0.425909D+00 -0.410007D+01  0.817453D+01  0.195665D+01  0.954980D+01
                36            37            38            39            40 
      1  -0.613615D+01  0.312813D+01 -0.109336D+00  0.102535D+01 -0.861207D+00
      2   0.392054D+01 -0.414246D+01 -0.229438D+00 -0.123384D+01  0.500497D+00
      3   0.221561D+01  0.101433D+01  0.338774D+00  0.208490D+00  0.360710D+00
      4   0.389057D+01  0.345676D+00  0.438349D+01  0.192370D+01  0.245565D+01
      5  -0.173882D+01  0.216697D+01  0.185849D+01  0.744208D+01  0.960388D+00
      6  -0.456600D+01  0.167714D+01  0.151969D+00  0.337246D+00  0.743925D+00
                41            42            43            44            45 
      1  -0.471443D+01 -0.314732D+01 -0.620316D+00 -0.668840D+01 -0.186955D+02
      2   0.191712D+01  0.988739D+00 -0.177490D+01  0.295797D+00 -0.942634D+01
      3   0.279731D+01  0.215858D+01  0.239521D+01  0.639261D+01  0.281219D+02
      4   0.138133D+01  0.185262D+01  0.658967D+00  0.273828D+01  0.333594D+01
      5   0.158750D+01  0.895476D+00  0.456458D+01  0.270460D+01  0.957702D+01
      6   0.379341D+01  0.640055D+01  0.150729D+01  0.669474D+01  0.112750D+02
 Leave Link  716 at Thu Jul 22 20:16:30 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.669879D+02 -0.140559D+01  0.339948D+00
      2  -0.140559D+01  0.480493D+02  0.953090D+00
      3   0.339948D+00  0.953090D+00  0.428204D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.605736D+00  0.466113D+01  0.626395D+01
      2  -0.139308D+02  0.975700D+00  0.438103D+01
      3   0.556178D+01 -0.844762D+01 -0.332191D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.231017D+02 -0.140467D+02 -0.712920D+01
      2  -0.570852D+01  0.328486D+01 -0.450689D+01
      3  -0.173931D+02  0.107618D+02  0.116361D+02
      4  -0.308783D+02  0.258546D+02  0.141034D+01
      5   0.117722D+01  0.107795D+01  0.117042D+02
      6   0.825659D+00  0.679256D+00 -0.691838D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    15 ND12= 1 LenFil=     543:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.110697D+02  0.458351D+01  0.183051D+01  0.858096D+01 -0.995223D+00
      2   0.458351D+01  0.302220D+00  0.210577D-01 -0.995223D+00  0.211150D+01
      3   0.183051D+01  0.210577D-01  0.151264D+01  0.158276D+00  0.105498D+01
                 6             7             8             9            10 
      1   0.158276D+00  0.239411D+01 -0.227140D+00 -0.364496D+00  0.114072D+02
      2   0.105498D+01 -0.227140D+00  0.148938D+01 -0.142824D+01 -0.342800D+01
      3   0.215549D+01 -0.364496D+00 -0.142824D+01 -0.419265D+01 -0.778569D+00
                11            12            13            14            15 
      1  -0.342800D+01 -0.778569D+00 -0.338322D+01  0.550133D+01  0.307274D+00
      2   0.339309D+01  0.230057D+00  0.550133D+01 -0.639923D+01 -0.695654D+00
      3   0.230057D+00  0.175234D+01  0.307274D+00 -0.695654D+00 -0.119519D+01
                16            17            18            19            20 
      1  -0.144670D+01  0.313009D+00  0.404224D+01 -0.223507D+02 -0.250669D+01
      2   0.313009D+00 -0.104369D+01 -0.188070D+01 -0.250669D+01 -0.427258D+01
      3   0.404224D+01 -0.188070D+01 -0.133333D+01 -0.135156D+01 -0.220157D+00
                21            22            23            24            25 
      1  -0.135156D+01 -0.449340D+01 -0.583412D+01 -0.309223D+00 -0.263961D+01
      2  -0.220157D+00 -0.583412D+01 -0.265023D+01 -0.565229D+00 -0.198721D+00
      3  -0.310230D+01 -0.309223D+00 -0.565229D+00 -0.784994D+00 -0.526141D+01
                26            27            28            29            30 
      1  -0.198721D+00 -0.526141D+01  0.514153D+00  0.167995D+01 -0.385616D+00
      2  -0.919106D+00 -0.742495D+00  0.167995D+01  0.454425D+00 -0.132927D+00
      3  -0.742495D+00 -0.148928D+01 -0.385616D+00 -0.132927D+00 -0.241424D+00
                31            32            33            34            35 
      1  -0.287378D+00  0.903457D+00 -0.303212D+00 -0.460873D+00 -0.109214D+00
      2   0.903457D+00  0.596079D+01 -0.104474D+01 -0.109214D+00 -0.126152D+01
      3  -0.303212D+00 -0.104474D+01 -0.802230D+00  0.557335D+00  0.201397D+01
                36            37            38            39            40 
      1   0.557335D+00 -0.640337D+00 -0.328768D+00  0.685233D+00 -0.416965D+00
      2   0.201397D+01 -0.328768D+00  0.122854D+00  0.101969D+00  0.424560D+00
      3  -0.316964D+00  0.685233D+00  0.101969D+00  0.787432D-01  0.146885D+00
                41            42            43            44            45 
      1   0.424560D+00  0.146885D+00  0.215307D+01  0.222068D+00  0.102633D+01
      2   0.977166D+00  0.125065D+01  0.222068D+00  0.173494D+01  0.203747D+01
      3   0.125065D+01  0.626926D+00  0.102633D+01  0.203747D+01  0.733223D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.408298D+01 -0.666355D+00 -0.573267D+00 -0.173330D+01 -0.871654D+00
      2  -0.701405D+01 -0.243667D+01 -0.844601D+01 -0.553625D+01  0.131016D+01
      3   0.385676D+01  0.367473D+01 -0.470015D+00  0.159252D+02 -0.124782D+01
                 6             7             8             9            10 
      1   0.920141D+00 -0.373555D+00  0.797787D+01  0.724194D+00 -0.171183D+01
      2   0.994678D+00 -0.216345D+02 -0.174219D-02 -0.147800D+01 -0.551343D+01
      3  -0.382962D-01  0.221872D+01 -0.165830D+01  0.653776D+00  0.494277D+01
                11            12            13            14            15 
      1   0.131037D+01  0.159780D+01  0.257007D+01 -0.227547D+01 -0.704394D+01
      2   0.257938D+01  0.118968D+02  0.166077D+01 -0.341831D+01 -0.344644D+01
      3  -0.133514D+02 -0.358769D+00  0.155405D+01  0.841675D+01  0.452443D+00
                16            17            18            19            20 
      1  -0.127182D+01  0.595818D+01 -0.951349D+00 -0.101280D+01 -0.116907D+01
      2  -0.191768D+01 -0.157184D+01 -0.372176D+01  0.125589D+02  0.110912D+01
      3   0.288585D+00  0.146638D+01  0.271123D+01 -0.103894D+02 -0.114164D+02
                21            22            23            24            25 
      1  -0.982953D-01 -0.182134D+01 -0.714475D+00 -0.963028D+01  0.167729D+01
      2   0.133397D+02  0.243190D+01  0.261355D+01  0.800675D+00 -0.875137D+01
      3  -0.112742D+00  0.823768D+01 -0.213807D+01  0.128754D-01 -0.968738D+00
                26            27            28            29            30 
      1   0.928088D+01 -0.754528D-01 -0.824757D+00  0.175412D+00 -0.944875D+00
      2   0.545203D-01  0.286882D+01  0.715207D+00 -0.546089D+00  0.286126D+01
      3  -0.253114D+00 -0.173867D+01  0.194935D+01 -0.101765D+01  0.265306D+00
                31            32            33            34            35 
      1   0.390038D+00  0.245928D+01 -0.567195D+01 -0.244459D+00 -0.108398D+01
      2   0.180593D+01 -0.930319D+00  0.145243D+01  0.146975D+01  0.117331D+01
      3   0.801085D+01 -0.520261D+01  0.422246D+00 -0.321761D+01  0.144496D+01
                36            37            38            39            40 
      1   0.318070D+01 -0.533597D+00  0.349642D+00  0.186329D-01  0.425001D+00
      2  -0.119072D+01 -0.577094D+00 -0.229747D+00  0.175820D+01 -0.362352D+00
      3  -0.995420D+00  0.343474D+00 -0.191431D+01  0.200175D+00 -0.237083D+00
                41            42            43            44            45 
      1   0.926333D+00  0.161454D-01 -0.490405D+00  0.189206D+01 -0.240204D+01
      2   0.424918D+00  0.198661D+00 -0.265688D+01  0.104847D+01  0.335180D+01
      3  -0.530970D+00 -0.679407D+00  0.167904D+01 -0.999924D+00 -0.630916D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.367000D+02  0.308623D+01 -0.237532D+00  0.627687D+01 -0.543041D-01
      2   0.218645D+02 -0.479456D+00  0.641280D+00 -0.252749D+01 -0.705138D+01
      3   0.148355D+02 -0.260678D+01 -0.403748D+00 -0.374939D+01  0.710568D+01
      4   0.273430D+01 -0.243347D+02 -0.149427D+01 -0.113705D+02  0.278963D+01
      5   0.731764D+00 -0.478310D+00 -0.188359D+02 -0.106282D+01  0.132797D+01
      6   0.192305D+01  0.546054D+00  0.121852D+01  0.384729D+00  0.123881D+01
                 6             7             8             9            10 
      1  -0.285388D+01  0.248817D+01 -0.883072D+00  0.920099D+01  0.596378D+02
      2   0.335216D+01  0.641828D+00  0.526469D+01  0.261757D+01 -0.296137D+02
      3  -0.498279D+00 -0.312999D+01 -0.438162D+01 -0.118186D+02 -0.300241D+02
      4   0.216828D+01 -0.277763D+01  0.371392D+01 -0.224682D+01 -0.213693D+02
      5   0.215920D+01  0.126809D+01 -0.160348D+01 -0.453665D+01 -0.313107D+01
      6  -0.472866D+01 -0.310486D+00 -0.404920D+00 -0.573188D+01 -0.232879D+00
                11            12            13            14            15 
      1  -0.109581D+02 -0.296839D+01 -0.105469D+02  0.882731D+00  0.887702D+00
      2   0.227810D+01  0.124358D+01 -0.105710D+01  0.154820D+02  0.101313D+00
      3   0.867998D+01  0.172481D+01  0.116040D+02 -0.163647D+02 -0.989015D+00
      4   0.291708D+02  0.168604D+01  0.351273D+02 -0.256954D+02 -0.294907D+01
      5   0.920230D+00  0.220691D+02  0.669945D+00 -0.170228D+01 -0.700402D+01
      6  -0.958061D+00 -0.349041D+01 -0.471096D+00  0.525409D+00  0.142089D+02
                16            17            18            19            20 
      1  -0.496133D+01  0.168756D+01 -0.959548D+00  0.605045D+02  0.449629D+01
      2   0.286576D+01 -0.328865D-01 -0.114240D+02 -0.341681D+02 -0.219685D+01
      3   0.209557D+01 -0.165468D+01  0.123836D+02 -0.263364D+02 -0.229944D+01
      4   0.261844D+01 -0.441437D+01 -0.656052D+01  0.109198D+02  0.270796D+02
      5   0.272113D+02 -0.674351D+01 -0.486026D+01  0.176251D+01  0.146619D+00
      6  -0.552438D+01  0.137275D+02  0.645976D+00 -0.141873D+01  0.526318D+00
                21            22            23            24            25 
      1   0.317717D+01  0.544306D+01 -0.943436D+01  0.944513D+00  0.396011D+01
      2  -0.129702D+01 -0.210844D+01  0.211203D+02 -0.432217D+00 -0.231815D+01
      3  -0.188014D+01 -0.333462D+01 -0.116859D+02 -0.512297D+00 -0.164197D+01
      4   0.738230D+00  0.331149D+02  0.542919D+01  0.964571D+00  0.149091D+01
      5   0.273376D+02  0.136550D+00 -0.121665D+00  0.246373D+01  0.304274D+02
      6   0.822916D+00  0.108300D+00 -0.504464D+00  0.187650D+02  0.965345D+00
                26            27            28            29            30 
      1   0.117445D+01 -0.119567D+02  0.274676D+01  0.161078D+01 -0.543336D+00
      2  -0.356838D+00 -0.142346D+02  0.140113D+01  0.156471D+01  0.419376D+00
      3  -0.817612D+00  0.261913D+02 -0.414790D+01 -0.317548D+01  0.123960D+00
      4   0.151108D+01  0.158083D+01  0.596391D+01  0.117500D+02 -0.190061D+01
      5   0.991147D+00  0.189867D+01 -0.119023D+01 -0.149394D+01  0.480740D+01
      6   0.184822D+02 -0.670024D+00 -0.194858D+01 -0.266280D+00  0.111173D+01
                31            32            33            34            35 
      1   0.625212D+00 -0.187125D+02  0.353359D+01 -0.109326D+01  0.407407D+01
      2   0.331841D+01  0.325978D+02 -0.273921D+01  0.358824D+00 -0.580616D+01
      3  -0.394363D+01 -0.138852D+02 -0.794382D+00  0.734439D+00  0.173209D+01
      4   0.766053D+01  0.146897D+02 -0.169645D+01 -0.199068D+01 -0.354892D+01
      5  -0.704067D+00 -0.109152D+01  0.148561D+01  0.351656D+01  0.324565D+01
      6  -0.425909D+00 -0.410007D+01  0.817453D+01  0.195665D+01  0.954980D+01
                36            37            38            39            40 
      1  -0.613615D+01  0.312813D+01 -0.109336D+00  0.102535D+01 -0.861207D+00
      2   0.392054D+01 -0.414246D+01 -0.229438D+00 -0.123384D+01  0.500497D+00
      3   0.221561D+01  0.101433D+01  0.338774D+00  0.208490D+00  0.360710D+00
      4   0.389057D+01  0.345676D+00  0.438349D+01  0.192370D+01  0.245565D+01
      5  -0.173882D+01  0.216697D+01  0.185849D+01  0.744208D+01  0.960388D+00
      6  -0.456600D+01  0.167714D+01  0.151969D+00  0.337246D+00  0.743925D+00
                41            42            43            44            45 
      1  -0.471443D+01 -0.314732D+01 -0.620316D+00 -0.668840D+01 -0.186955D+02
      2   0.191712D+01  0.988739D+00 -0.177490D+01  0.295797D+00 -0.942634D+01
      3   0.279731D+01  0.215858D+01  0.239521D+01  0.639261D+01  0.281219D+02
      4   0.138133D+01  0.185262D+01  0.658967D+00  0.273828D+01  0.333594D+01
      5   0.158750D+01  0.895476D+00  0.456458D+01  0.270460D+01  0.957702D+01
      6   0.379341D+01  0.640055D+01  0.150729D+01  0.669474D+01  0.112750D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.482201D+00      0.122563D+01      0.408827D+01
   x          0.405292D-01      0.103015D+00      0.343620D+00
   y         -0.255286D-01     -0.648873D-01     -0.216441D+00
   z          0.479816D+00      0.121957D+01      0.406805D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.450002D+02      0.666834D+01      0.741953D+01
   aniso      0.232503D+02      0.344534D+01      0.383346D+01
   xx         0.598927D+02      0.887519D+01      0.987498D+01
   yx        -0.154520D+01     -0.228975D+00     -0.254769D+00
   yy         0.405019D+02      0.600177D+01      0.667787D+01
   zx         0.492724D+00      0.730141D-01      0.812392D-01
   zy         0.159046D+01      0.235682D+00      0.262232D+00
   zz         0.346058D+02      0.512806D+01      0.570573D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.526192D+02      0.779736D+01      0.867573D+01
   aniso      0.222270D+02      0.329371D+01      0.366474D+01
   xx         0.669879D+02      0.992659D+01      0.110448D+02
   yx        -0.140559D+01     -0.208286D+00     -0.231750D+00
   yy         0.480493D+02      0.712017D+01      0.792226D+01
   zx         0.339948D+00      0.503751D-01      0.560499D-01
   zy         0.953090D+00      0.141233D+00      0.157143D+00
   zz         0.428204D+02      0.634532D+01      0.706012D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.02926820          0.91556363          0.81941897
    17          3.46444051         -1.29696056          0.23334300
    35         -2.27724404         -0.35661271         -0.22680137
     9          1.52249819          3.08497396         -0.42000077
     1          0.92996966          1.27162130          2.83470941

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.482201D+00      0.122563D+01      0.408827D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.482201D+00      0.122563D+01      0.408827D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.450002D+02      0.666834D+01      0.741953D+01
   aniso      0.232503D+02      0.344534D+01      0.383346D+01
   xx         0.596240D+02      0.883536D+01      0.983067D+01
   yx        -0.157564D+01     -0.233486D+00     -0.259788D+00
   yy         0.406469D+02      0.602325D+01      0.670177D+01
   zx         0.269406D+01      0.399218D+00      0.444190D+00
   zy         0.114272D+01      0.169333D+00      0.188409D+00
   zz         0.347296D+02      0.514640D+01      0.572614D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.526192D+02      0.779736D+01      0.867573D+01
   aniso      0.222270D+02      0.329371D+01      0.366474D+01
   xx         0.667536D+02      0.989186D+01      0.110062D+02
   yx        -0.139530D+01     -0.206762D+00     -0.230054D+00
   yy         0.481293D+02      0.713203D+01      0.793545D+01
   zx         0.243840D+01      0.361333D+00      0.402037D+00
   zy         0.556920D+00      0.825271D-01      0.918238D-01
   zz         0.429747D+02      0.636819D+01      0.708557D+01

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-25\Freq\RwB97XD\Gen\C1H1Br1Cl1F1\PIERPA\22-Jul-2021\0
 \\#P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=R
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 07\\Version=ES64L-G16RevA.03\State=1-A\HF=-3173.0167263\RMSD=4.076e-09
 \RMSF=4.121e-06\ZeroPoint=0.0207875\Thermal=0.0251316\Dipole=0.0405292
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 0.0060055,0.0076791\Polar=59.8927256,-1.5451992,40.5019425,0.4927238,1
 .5904619,34.6058326\Quadrupole=0.0821543,-1.094271,1.0121168,-0.041659
 1,0.7882807,1.0473931\PG=C01 [X(C1H1Br1Cl1F1)]\NImag=0\\0.24331595,0.0
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 .21301115,0.11069035,0.02068738,-0.04784577,0.00548366,-0.02786584,-0.
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 6,0.00851170,0.03151678,0.34632812\\-0.00000038,-0.00000760,-0.0000083
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 0.00000130,0.00000229,0.00000389,0.00000019,0.00000142,0.00000101\\\@


 ACTORS ARE SO FORTUNATE.  THEY CAN CHOOSE WHETHER
 THEY WILL APPEAR IN A TRAGEDY OR IN COMEDY,
 WHETHER THEY WILL SUFFER OF MAKE MERRY,
 LAUGH OR SHED TEARS.  BUT IN REAL LIFE IT IS DIFFERENT.
 MOST MEN AND WOMEN ARE FORCED TO PERFORM
 PARTS FOR WHICH THEY HAVE NO QUALIFICATIONS.
 THE WORLD IS A STAGE, BUT THE PLAY IS BADLY CAST.

                                   -- OSCAR WILDE
 Job cpu time:       0 days  0 hours  5 minutes  2.5 seconds.
 Elapsed time:       0 days  0 hours  0 minutes 38.7 seconds.
 File lengths (MBytes):  RWF=     97 Int=      0 D2E=      0 Chk=      3 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 20:16:30 2021.
